(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane

C14H17NO2 — CID 11368239

IUPAC(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane
SMILESc1ccc([C@@H]2ON3CCC[C@@]34COC[C@@H]24)cc1
InChIInChI=1S/C14H17NO2/c1-2-5-11(6-3-1)13-12-9-16-10-14(12)7-4-8-15(14)17-13/h1-3,5-6,12-13H,4,7-10H2/t12-,13-,14-/m0/s1
InChIKeyHDORDDXJRUTMFV-IHRRRGAJSA-N
MW231.29 g/mol
LogP2.15
Rot. Bonds1

About (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane

(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane (PubChem CID 11368239) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane.

Molecular Properties

Compound Name(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane
PubChem CID11368239
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane
SMILESc1ccc([C@@H]2ON3CCC[C@@]34COC[C@@H]24)cc1
InChIInChI=1S/C14H17NO2/c1-2-5-11(6-3-1)13-12-9-16-10-14(12)7-4-8-15(14)17-13/h1-3,5-6,12-13H,4,7-10H2/t12-,13-,14-/m0/s1
InChIKeyHDORDDXJRUTMFV-IHRRRGAJSA-N
XLogP2.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane?
The IUPAC name of (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane (CID 11368239) is (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane.
What is the SMILES notation for (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane?
The canonical SMILES for (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane is c1ccc([C@@H]2ON3CCC[C@@]34COC[C@@H]24)cc1.
What is the InChIKey of (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane?
The InChIKey is HDORDDXJRUTMFV-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-5-11(6-3-1)13-12-9-16-10-14(12)7-4-8-15(14)17-13/h1-3,5-6,12-13H,4,7-10H2/t12-,13-,14-/m0/s1.
What are the key properties of (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane?
(1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane has a molecular weight of 231.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-phenyl-3,7-dioxa-8-azatricyclo[6.3.0.01,5]undecane is sourced from PubChem (CID 11368239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).